Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.03 4 0.0061 0.24 1 5.1 0.21 0 0.4881 3.44 2 1.30 2 0.0050 0.23 1 6.0 0.33 0 0.6568 4.34 3 1.56 4 0.0076 0.24 2 6.9 0.30 0 0.7927 4.88 4 1.66 5 0.0092 0.28 2 6.5 0.30 0 1.0046 4.89 5 1.70 5 0.0062 0.22 1 7.6 0.30 0 1.0140 4.62 6 1.76 1 0.0050 0.15 3 7.7 0.30 0 0.9789 4.85 7 1.84 6 0.0087 0.28 4 6.9 0.26 1 0.9555 6.90 8 1.84 4 0.0067 0.25 3 7.0 0.49 0 0.7897 4.66 9 1.86 9 0.0103 0.27 3 6.2 0.33 1 0.8276 6.45 10 1.88 7 0.0081 0.24 3 7.6 0.28 0 0.8406 3.66 11 1.90 9 0.0099 0.26 3 7.2 0.38 0 0.5820 4.57 12 1.95 7 0.0097 0.30 1 8.2 0.30 1 1.0915 5.56 13 1.99 3 0.0068 0.24 4 8.9 0.33 1 0.8492 5.08 14 2.01 10 0.0112 0.28 2 8.3 0.30 0 0.8204 4.34 15 2.03 9 0.0100 0.27 1 8.3 0.30 2 1.2225 9.47 16 2.10 5 0.0082 0.34 3 8.5 0.33 1 1.0208 6.02 17 2.16 6 0.0079 0.23 2 9.6 0.30 0 0.8034 3.95 18 2.23 7 0.0077 0.23 4 8.7 0.28 2 1.1757 5.58 19 2.29 12 0.0113 0.27 6 8.7 0.30 0 0.6965 3.69 20 2.46 7 0.0093 0.25 3 8.9 0.30 2 1.2914 5.94 Ave 1.88 6 0.0083 0.25 3 7.6 0.31 1 0.8951 5.14 +/- 0.32 3 0.0018 0.04 1 1.1 0.05 1 0.2049 1.35 Min 1.03 1 0.0050 0.15 1 5.1 0.21 0 0.4881 3.44 Max 2.46 12 0.0113 0.34 6 9.6 0.49 2 1.2914 9.47 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H VAL 34 - QB MET 35 4.57 6 0.05 0.21 *+ + +++ peak 406 Upper H VAL 103 - HG3 ARG 104 4.67 14 0.19 0.25 +++ +++++ +*+ + ++ peak 1118 VdW HA THR 39 - CD PRO 40 2.60 18 0.28 0.30 + +++++ ++++++++*+++ 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 5.32 +/- 0.95 A (4.30..7.96 A) Average heavy atom RMSD to mean : 5.85 +/- 0.98 A (4.85..8.55 A)